SCHEMBL7348805

SCHEMBL7348805

[CH2]c1cccc(C(=O)Nc2nnc(C)s2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 2/20 0.71
ALDH1A1 P00352 1/20 0.71
ALOX15 P16050 1/20 0.71
TSHR P16473 1/20 0.71
SMN1; SMN2 Q16637 5/20 0.69
TP53 P04637 3/20 0.69
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KDM1A O60341 3/20 0.61
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.57
RCOR1 Q9UKL0 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8556554 0.86 KMT2A (0.75) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL18175982 0.83 MEN1 (0.71) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL7348082 0.83 MAPT (0.64) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL12852615 0.82 MEN1 (0.73) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL18176018 0.81 MEN1 (0.72) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL20888451 0.81 MEN1 (0.72) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL8554412 0.80 NPC1 (0.64) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7352140 0.80 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7349284 0.80 RAB9A (0.70) MEN1KMT2AGAAALDH1A1ALOX15
SCHEMBL7350718 0.77 GCK (0.72) MEN1KMT2ASMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP claimed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP claimed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-1029859-A1 N,N'-Disubstituted unsymmetrical cyclic urea and its use in therapy Dupont Pharmaceuticals Company (US) 2000-08-23 EP disclosed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP disclosed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP disclosed
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US disclosed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO disclosed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed